[2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: [2-[(2-ethoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: [2-[2-ethoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: [2-[2-ethoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: [2-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: [2-(2-ethoxy-5-piperidinosulfonyl-anilino)-2-keto-ethyl]-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C21H35N4O5S+ MolecularWeight: 455.5914

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OCC

Isomeric SMILES

CCCNC(=O)C[NH+](C)CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OCC

InChI

InChI=1S/C21H34N4O5S/c1-4-11-22-20(26)15-24(3)16-21(27)23-18-14-17(9-10-19(18)30-5-2)31(28,29)25-12-7-6-8-13-25/h9-10,14H,4-8,11-13,15-16H2,1-3H3,(H,22,26)(H,23,27)/p+1